NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8754 8.3549 109.7361 44.7177 0.0000 174.7303 2 S 4.3542 8.8975 114.2517 54.6850 65.1288 172.0905 3 H 4.4708 8.3926 122.1729 55.1017 30.2612 174.2607 4 V 4.6540 8.0758 121.9515 60.8142 35.5709 174.0824 5 V 4.7448 9.6195 122.2933 59.7696 34.8788 174.2444 6 Q 4.9799 9.3156 122.3450 54.6695 32.8256 173.8840 7 T 4.9292 8.3698 113.5568 60.1029 71.0385 173.7965 8 L 4.5705 8.5346 119.5420 56.1223 43.1695 176.2275 9 Y 4.9995 7.5610 116.1606 54.4299 40.2836 175.9792 10 P 4.6033 0.0000 0.0000 62.3648 29.7908 175.9809 11 F 4.3129 7.5263 117.3153 57.3435 40.5340 176.1840 12 S 4.7216 8.3326 118.6498 57.5290 64.2558 174.4727 13 S 4.7929 8.2930 119.1642 58.0473 64.2292 173.9582 14 V 4.2315 8.2860 111.7862 63.3038 33.5724 177.0394 15 T 3.8669 7.8033 107.8696 61.5897 68.8624 173.4433 16 E 3.9913 8.5233 122.6351 59.1060 30.1995 177.4069 17 E 4.3918 7.7678 117.8699 56.4998 29.5371 175.7367 18 E 5.2191 7.3933 119.7585 54.5288 32.2466 175.1376 19 L 4.3815 7.9817 118.0236 53.1474 45.1821 176.2398 20 N 4.7112 8.1214 120.3224 51.0744 37.4514 173.5765 21 F 5.2521 8.0364 121.0696 55.5491 43.0728 175.3352 22 E 4.2760 8.6856 123.2705 55.3001 28.1715 176.0510 23 K 4.3698 8.4209 125.1596 56.3362 33.1314 176.1435 24 G 4.3060 8.4331 110.6906 46.3448 0.0000 173.2152 25 E 4.5392 7.8613 125.7584 55.9432 29.7552 173.9811 26 T 4.9952 8.3075 107.4872 60.3440 70.8213 174.0065 27 M 4.9356 9.3024 122.4135 53.8044 37.2835 173.7302 28 E 4.7018 8.5141 118.9601 54.6438 32.2842 175.5520 29 V 4.0910 8.1441 124.9610 61.6119 32.6317 175.3745 30 I 4.0236 8.4034 121.1083 62.5910 38.3488 175.8036 31 E 4.3193 8.1064 122.0950 54.8310 30.2002 175.3500 32 K 4.7482 8.3992 125.7323 54.4662 34.1394 175.0378 33 P 5.0594 0.0000 0.0000 62.5110 31.4964 176.7297 34 E 4.2491 8.0254 117.9639 57.9849 30.4002 176.7885 35 N 4.7586 8.0931 114.3315 53.6949 41.2435 174.2723 36 D 4.6879 7.7339 117.0962 51.4510 42.4799 173.8751 37 P 3.8176 0.0000 0.0000 62.4157 30.8658 176.2884 38 E 3.8629 7.4242 116.8765 57.0615 29.5289 176.0314 39 W 4.7706 6.3432 116.7360 55.3120 31.2535 174.7991 40 W 5.4228 8.3695 117.7413 54.6835 31.8981 173.8611 41 K 5.8297 8.8152 117.8152 55.2069 35.2144 174.8769 42 C 5.4686 8.8676 116.7053 55.0990 33.6891 172.4994 43 K 4.5787 8.6025 119.3158 56.0119 33.9137 175.5785 44 N 4.8653 8.2575 121.8823 51.5605 41.2657 174.6297 45 A 4.3503 8.3268 120.1583 53.0179 17.8583 178.4334 46 R 3.8224 7.6999 115.8700 56.6797 30.4593 178.3869 47 G 4.0353 8.0545 106.0452 44.9308 0.0000 173.3643 48 Q 4.7380 7.7587 119.9909 53.9067 31.4058 174.0479 49 V 4.7608 7.9638 123.6994 59.2666 33.7080 174.8519 50 G 4.4174 8.4256 113.7453 44.8098 0.0000 170.9749 51 L 5.9353 8.2413 122.6602 52.9133 42.3453 177.0069 52 V 4.1933 8.6672 124.6267 59.5050 33.0147 174.1924 53 P 4.3292 0.0000 0.0000 61.9280 31.0251 176.8563 54 K 4.3573 8.2359 124.3900 59.7501 32.1721 178.1917 55 N 4.3713 7.8494 116.2032 55.4905 39.1673 174.3063 56 Y 5.4428 8.5903 114.8386 58.4141 39.7961 175.1135 57 V 4.8567 8.1460 112.6659 60.3708 36.9400 174.2488 58 V 4.5313 9.5760 121.4721 60.0528 34.0248 175.4787 59 V 3.8602 8.7635 125.7707 62.9052 32.2993 175.4735 60 L 4.6528 9.3898 128.5741 53.4957 44.5800 176.4575 61 S 4.4084 8.5252 119.7411 58.2270 63.1382 174.2020 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.90 4.35 0.00 3.89 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.39 4.47 0.00 3.19 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.08 4.65 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 5 V 9.62 4.74 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.70 0.00 0.00 6 Q 9.32 4.98 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 7 T 8.37 4.93 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 8 L 8.53 4.57 0.00 0.90 1.52 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.56 5.00 0.00 3.37 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.60 0.00 2.09 2.20 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.92 0.00 11 F 7.53 4.31 0.00 2.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.33 4.72 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.29 4.79 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.29 4.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.90 0.00 0.00 15 T 7.80 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 16 E 8.52 3.99 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 17 E 7.77 4.39 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 18 E 7.39 5.22 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 19 L 7.98 4.38 0.00 1.37 0.85 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.12 4.71 0.00 2.80 2.80 0.00 0.00 5.99 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.04 5.25 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.69 4.28 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 23 K 8.42 4.37 0.00 1.88 1.81 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.49 7.81 24 G 8.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.86 4.54 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 26 T 8.31 5.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 27 M 9.30 4.94 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 28 E 8.51 4.70 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 29 V 8.14 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.17 0.00 0.00 30 I 8.40 4.02 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.94 0.00 0.00 31 E 8.11 4.32 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 32 K 8.40 4.75 0.00 1.94 1.83 0.00 1.52 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 33 P 0.00 5.06 0.00 2.07 1.98 0.00 3.16 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 34 E 8.03 4.25 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 35 N 8.09 4.76 0.00 2.67 2.83 0.00 0.00 6.85 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.73 4.69 0.00 2.94 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 3.82 0.00 0.49 0.94 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.75 0.00 38 E 7.42 3.86 0.00 1.51 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 39 W 6.34 4.77 0.00 3.55 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.37 5.42 0.00 3.44 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.82 5.83 0.00 1.96 2.00 0.00 1.56 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 42 C 8.87 5.47 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.60 4.58 0.00 1.81 1.87 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.71 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.43 7.81 44 N 8.26 4.87 0.00 3.23 2.89 0.00 0.00 6.78 8.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.33 4.35 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.70 3.82 0.00 1.42 1.46 0.00 2.45 0.00 0.00 2.74 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 47 G 8.05 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.76 4.74 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 49 V 7.96 4.76 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 50 G 8.43 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.24 5.94 0.00 1.75 1.90 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.67 4.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.26 0.00 0.00 53 P 0.00 4.33 0.00 1.91 2.21 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 54 K 8.24 4.36 0.00 1.57 0.74 0.00 1.21 0.00 0.00 1.45 0.00 0.00 2.66 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.84 1.15 7.81 55 N 7.85 4.37 0.00 2.38 2.20 0.00 0.00 6.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.59 5.44 0.00 3.18 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.15 4.86 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.32 0.00 0.00 58 V 9.58 4.53 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 59 V 8.76 3.86 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.06 0.00 0.00 60 L 9.39 4.65 0.00 1.64 1.45 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.53 4.41 0.00 3.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00